(3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C23H29N5O2 — CID 124959329

IUPAC(3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C23H29N5O2/c24-22(30)23(20-6-1-2-12-25-20)11-5-13-27(17-23)16-21(29)26-18-7-9-19(10-8-18)28-14-3-4-15-28/h1-2,6-10,12H,3-5,11,13-17H2,(H2,24,30)(H,26,29)/t23-/m0/s1
InChIKeyGMOKMYRENOWFED-QHCPKHFHSA-N
MW407.52 g/mol
LogP2.14
Rot. Bonds6

About (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124959329) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID124959329
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name(3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C23H29N5O2/c24-22(30)23(20-6-1-2-12-25-20)11-5-13-27(17-23)16-21(29)26-18-7-9-19(10-8-18)28-14-3-4-15-28/h1-2,6-10,12H,3-5,11,13-17H2,(H2,24,30)(H,26,29)/t23-/m0/s1
InChIKeyGMOKMYRENOWFED-QHCPKHFHSA-N
XLogP2.14
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152347
(3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 129458524
(3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125026870
(3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124986533
1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152705
(3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124983698
1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152504
2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108995838
2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110689996
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004730
N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387
N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9299745

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 124959329) is (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is NC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is GMOKMYRENOWFED-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N5O2/c24-22(30)23(20-6-1-2-12-25-20)11-5-13-27(17-23)16-21(29)26-18-7-9-19(10-8-18)28-14-3-4-15-28/h1-2,6-10,12H,3-5,11,13-17H2,(H2,24,30)(H,26,29)/t23-/m0/s1.
What are the key properties of (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
(3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124959329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).